SCHEMBL6777572

SCHEMBL6777572

Cn1cc(NC(=O)OC(C)(C)C)nc1C(=O)On1nnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.46
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
BRD4 O60885 5/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
BCHE P06276 1/20 0.36
MEN1 O00255 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24437339 0.88 MEN1 (0.38) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL888267 0.80 HDAC3 (0.47) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4399856 0.80 HDAC3 (0.40) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3418695 0.77 GSK3B (0.42) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL14441948 0.77 HDAC3 (0.44) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL21316476 0.74 NAMPT (0.46) BRD4NPC1RAB9AMEN1GAA
SCHEMBL1986577 0.73 GSK3B (0.43) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL12604847 0.73 HDAC3 (0.54) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3415059 0.73 GSK3B (0.39) GSK3BDYRK1A
SCHEMBL7079271 0.73 RPS6KA3 (0.43) KMT2AGSK3BDYRK1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524899-B2 Oligopeptide containing fused 6-membered ring forming complexes with double stranded dna; complexes can be used for identification of specific dsDNA sequences, inhibiting gene transcription, therapeutic for inhibiting proliferation of undesired cells or modulation of expression of specific gene CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-09-03 US disclosed
US-8524899-B2 Oligopeptide containing fused 6-membered ring forming complexes with double stranded dna; complexes can be used for identification of specific dsDNA sequences, inhibiting gene transcription, therapeutic for inhibiting proliferation of undesired cells or modulation of expression of specific gene CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-09-03 US disclosed
US-6683189-B1 POLYAMIDE-OLIGONUCLEOTIDE CONJUGATES; NETROPSIN AND DISTAMYCIN A SYNTHESIS CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-01-27 US disclosed
US-6545162-B1 Solid phase biosynthesis of viricide antibiotic CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-04-08 US disclosed
EP-0885189-B9 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INST OF TECHN (US) 2003-04-02 EP disclosed
EP-0885189-B1 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INST OF TECHN (US) 2002-08-28 EP disclosed
US-6090947-A Method for the synthesis of pyrrole and imidazole carboxamides on a solid support CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-07-18 US disclosed